SCHEMBL29068472

SCHEMBL29068472

CCCC(C)C(OP(=O)(O)O)C(C)CCC

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 2/20 0.52
SMPD1 P17405 3/20 0.48
FDPS P14324 6/20 0.44
PTPN1 P18031 1/20 0.39
LPAR3 Q9UBY5 3/20 0.34
LPAR1 Q92633 2/20 0.34
LPAR2 Q9HBW0 2/20 0.34
S1PR2 O95136 3/20 0.33
S1PR1 P21453 3/20 0.33
S1PR3 Q99500 3/20 0.33
S1PR4 O95977 2/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29068476 0.87 SMPD1 (0.55) METAP1SMPD1FDPSPTPN1LPAR3
SCHEMBL29068513 0.85 SMPD1 (0.63) SMPD1FDPSPTPN1LPAR3LPAR1
SCHEMBL29068444 0.84 SMPD1 (0.67) SMPD1FDPSPTPN1LPAR3LPAR1
SCHEMBL29068426 0.82 SMPD1 (0.48) METAP1SMPD1FDPSPTPN1LPAR3
SCHEMBL3898905 0.81 SMPD1 (0.42) METAP1SMPD1FDPSPTPN1LPAR3
SCHEMBL2473811 0.79 SMPD1 (0.50) METAP1SMPD1FDPSPTPN1LPAR3
SCHEMBL29068438 0.78 METAP1 (0.48) METAP1SMPD1FDPSPTPN1LPAR3
SCHEMBL5963330 0.78 METAP1 (0.48) METAP1SMPD1FDPSPTPN1LPAR3
SCHEMBL29068422 0.78 SMPD1 (0.46) METAP1SMPD1FDPSPTPN1LPAR3
SCHEMBL27487573 0.78 METAP1 (0.48) METAP1SMPD1FDPSPTPN1LPAR3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116745025-A membrane for water filtration 水通道蛋白有限公司 2023-09-12 CN disclosed